Geometry & MOs

Info

ID:

376862

PubChem CID:

134222891

Reduced:

FO5N8C32H33 (1)

Stoich.:

AB5C8D32E33 (1)

Weight, g/mol:

465.172228

ΔHf, kcal/mol:

-121.88

Dipole, Da:

11.47

IP(EA), eV:

 -8.76(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(6,7-dihydro-1-benzothiophen-2-ylmethylideneamino)methyl]-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COC(=O)C1N2CCC3=C(C2)C=CC=C3NC(C4CC(CN4C(=O)CN5C6=C(C=C(C=C6)C7=CN=NC=C7)C(=N5)C(=O)N)F)O

DOS

IR

Vibrations